UCSF

ZINC15588720

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2008 30 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.46 6.06 -23.03 2 6 0 85 452.866 6
Hi High (pH 8-9.5) 4.46 6.13 -58.82 1 6 -1 87 451.858 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )